4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine

C24H31N5O — CID 157491720

IUPAC4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
SMILESc1ccc2c(c1)CN=C2c1ccnc(N2CCN(CCCN3CCOCC3)CC2)c1
InChIInChI=1S/C24H31N5O/c1-2-5-22-21(4-1)19-26-24(22)20-6-7-25-23(18-20)29-12-10-27(11-13-29)8-3-9-28-14-16-30-17-15-28/h1-2,4-7,18H,3,8-17,19H2
InChIKeyBXIWFJIKSVCZSV-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.28
Rot. Bonds6

About 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine

4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine (PubChem CID 157491720) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
PubChem CID157491720
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
SMILESc1ccc2c(c1)CN=C2c1ccnc(N2CCN(CCCN3CCOCC3)CC2)c1
InChIInChI=1S/C24H31N5O/c1-2-5-22-21(4-1)19-26-24(22)20-6-7-25-23(18-20)29-12-10-27(11-13-29)8-3-9-28-14-16-30-17-15-28/h1-2,4-7,18H,3,8-17,19H2
InChIKeyBXIWFJIKSVCZSV-UHFFFAOYSA-N
XLogP2.28
TPSA44.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine with MolForge

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Related Compounds

4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
4-[4-[6-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 158201407
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine (CID 157491720) is 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine is c1ccc2c(c1)CN=C2c1ccnc(N2CCN(CCCN3CCOCC3)CC2)c1.
What is the InChIKey of 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine?
The InChIKey is BXIWFJIKSVCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-2-5-22-21(4-1)19-26-24(22)20-6-7-25-23(18-20)29-12-10-27(11-13-29)8-3-9-28-14-16-30-17-15-28/h1-2,4-7,18H,3,8-17,19H2.
What are the key properties of 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine?
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine has a molecular weight of 405.55 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine is sourced from PubChem (CID 157491720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).